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2-(Azido-PEG3-amido)-1,3-bis(carboxylethoxy)propane | CAS 2086689-05-4
| Catalog Number | R14-0045 |
| Category | Azides |
| Molecular Formula | C₁₈H₃₂N₄O₁₀ |
| Molecular Weight | 464.47 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
2-(Azido-PEG3-amido)-1,3-bis(carboxylethoxy)propane is a polyethylene glycol (PEG)-based PROTAC linker. 2-(Azido-PEG3-amido)-1,3-bis(carboxylethoxy)propane can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 2-Azido-PEG3-amido-13-biscarboxylethoxypropane; 3-[2-(3-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}propanamido)-3-(2-carboxyethoxy)propoxy]propanoic acid; 3-[2-[3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoylamino]-3-(2-carboxyethoxy)propoxy]propanoic acid; Propanoic acid, 3-[[15-azido-2-[(2-carboxyethoxy)methyl]-4-oxo-7,10,13-trioxa-3-azapentadec-1-yl]oxy]- |
| Purity | 98% |
| IUPAC Name | 3-[2-[3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoylamino]-3-(2-carboxyethoxy)propoxy]propanoic acid |
| Canonical SMILES | C(COCCOCCOCCN=[N+]=[N-])C(=O)NC(COCCC(=O)O)COCCC(=O)O |
| InChI | InChI=1S/C18H32N4O10/c19-22-20-4-8-29-10-12-30-11-9-28-5-1-16(23)21-15(13-31-6-2-17(24)25)14-32-7-3-18(26)27/h15H,1-14H2,(H,21,23)(H,24,25)(H,26,27) |
| InChIKey | NIEBYMXGDWQDQN-UHFFFAOYSA-N |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | -1.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 23 |
| Exact Mass | 464.21184323 g/mol |
| Monoisotopic Mass | 464.21184323 g/mol |
| Topological Polar Surface Area | 164Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 550 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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